1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C24H23FN6O3 — CID 1433541

IUPAC1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C24H23FN6O3/c1-34-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22(32)15-30-16-26-23-19(24(30)33)14-27-31(23)18-8-6-17(25)7-9-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyYTAZBDCCEHICGL-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433541) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1433541
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C24H23FN6O3/c1-34-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22(32)15-30-16-26-23-19(24(30)33)14-27-31(23)18-8-6-17(25)7-9-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyYTAZBDCCEHICGL-UHFFFAOYSA-N
XLogP2.08
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882720
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16883108
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78622929
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243598
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7118509
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 1433541) is 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is COc1ccccc1N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YTAZBDCCEHICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-34-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22(32)15-30-16-26-23-19(24(30)33)14-27-31(23)18-8-6-17(25)7-9-18/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 462.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).